1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine

C11H13ClN2O2 — CID 65250202

IUPAC1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine
SMILESNC1CN(Cc2cc(Cl)c3c(c2)OCO3)C1
InChIInChI=1S/C11H13ClN2O2/c12-9-1-7(3-14-4-8(13)5-14)2-10-11(9)16-6-15-10/h1-2,8H,3-6,13H2
InChIKeyIUSQRBRQMVWYBX-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.21
Rot. Bonds2

About 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine

1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine (PubChem CID 65250202) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine
PubChem CID65250202
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine
SMILESNC1CN(Cc2cc(Cl)c3c(c2)OCO3)C1
InChIInChI=1S/C11H13ClN2O2/c12-9-1-7(3-14-4-8(13)5-14)2-10-11(9)16-6-15-10/h1-2,8H,3-6,13H2
InChIKeyIUSQRBRQMVWYBX-UHFFFAOYSA-N
XLogP1.21
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103576615
2-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-yl]acetic acid
CID 64616505
[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961022
1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908936
1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 56796821
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidine-2-carbaldehyde
CID 62656619
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2,5-diethylpiperazine
CID 64978599
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-(3-methylphenyl)piperazine
CID 18124656
2-[1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]azetidin-3-yl]propanoic acid
CID 116683956
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]cyclopropanamine
CID 43087529
4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylmorpholine
CID 134055216
[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788850

Frequently Asked Questions

What is the IUPAC name of 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine (CID 65250202) is 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine is NC1CN(Cc2cc(Cl)c3c(c2)OCO3)C1.
What is the InChIKey of 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine?
The InChIKey is IUSQRBRQMVWYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-1-7(3-14-4-8(13)5-14)2-10-11(9)16-6-15-10/h1-2,8H,3-6,13H2.
What are the key properties of 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine?
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine has a molecular weight of 240.69 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 65250202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).